SCHEMBL4099257

SCHEMBL4099257

CCc1cccc(CC)c1CN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.59
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CXCR4 P61073 1/20 0.51
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 3/20 0.46
NCF1 P14598 1/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4108619 0.84 CYP2A13 (0.69) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL11193326 0.77 CYP2A13 (0.75) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL28662303 0.76 CYP2A13 (0.59) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL1328958 0.76 CYP2A13 (0.47) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL13849993 0.75 CYP2A13 (0.71) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL4097834 0.74 CYP2A13 (1.00) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL7114819 0.74 KDM4E (0.64) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL10235392 0.74 NCF1 (0.71) CYP2A13ALDH1A1CXCR4HSD17B10KDM4E
SCHEMBL28852963 0.74 CYP2A13 (0.75) CYP2A13ALDH1A1KMT2AMEN1CXCR4
SCHEMBL4105461 0.74 CYP2A13 (1.00) CYP2A13ALDH1A1KMT2AMEN1CXCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962624-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2015-02-24 US disclosed
US-8962624-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2015-02-24 US disclosed
US-8962624-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2015-02-24 US disclosed
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 UNIVERSITY OF KANSAS (US) 2014-02-13 US disclosed
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 UNIVERSITY OF KANSAS (US) 2014-02-13 US disclosed
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 UNIVERSITY OF KANSAS (US) 2014-02-13 US disclosed
US-8598165-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2013-12-03 US disclosed
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-28 US disclosed
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-28 US disclosed
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 CYP1A2, CYP2D6, CYP1A1 CYP2A13 6/4885ALDH1A1 120/4885KMT2A 1372/4885
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 CYP1A2, CYP2D6, CYP1A1 CYP2A13 6/4885ALDH1A1 120/4885KMT2A 1372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.